Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | PARP1 | P09874 | 10/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL20100593 | 0.83 | ALDH1A1 (0.46) | ALDH1A1GAAPARP1KDM4E | |
| SCHEMBL20100561 | 0.81 | PARP1 (0.56) | ALDH1A1GAAPARP1KDM4EKMT2A | |
| SCHEMBL20100606 | 0.77 | RPS6KA3 (0.51) | ALDH1A1KDM4ELMNAKMT2A | |
| SCHEMBL2485535 | 0.74 | ALDH1A1 (0.50) | ALDH1A1GAAPARP1 | |
| SCHEMBL10446487 | 0.71 | ALDH1A1 (0.47) | ALDH1A1GAAPARP1KDM4E | |
| SCHEMBL13189674 | 0.70 | ALDH1A1 (0.50) | ALDH1A1GAAPARP1 | |
| SCHEMBL31750298 | 0.70 | ALDH1A1 (0.50) | ALDH1A1GAAPARP1KDM4E | |
| SCHEMBL13589774 | 0.70 | ALDH1A1 (0.50) | ALDH1A1GAAPARP1 | |
| SCHEMBL20100521 | 0.70 | ALDH1A1 (0.50) | ALDH1A1GAAPARP1 | |
| SCHEMBL13589780 | 0.70 | ALDH1A1 (0.50) | ALDH1A1GAAPARP1KMT2A |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2018079628-A1 | PYRROLE DERIVATIVE WITH FUSED RING AND PHARMACEUTICAL USE THEREOF | 大日本住友製薬株式会社 | 2018-05-03 | — | — | WO | disclosed |